# generated using pymatgen
data_Mg6ZrB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.83577101
_cell_length_b   6.83577101
_cell_length_c   4.57946000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   132.17891516
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6ZrB
_chemical_formula_sum   'Mg6 Zr1 B1'
_cell_volume   158.57612938
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.30661300  0.18882700  0.50000000  1.0
  Mg  Mg1  1  0.81117300  0.69338700  0.50000000  1.0
  Mg  Mg2  1  0.17296200  0.33159500  0.00000000  1.0
  Mg  Mg3  1  0.66840500  0.82703800  0.00000000  1.0
  Mg  Mg4  1  0.65499800  0.34500200  0.00000000  1.0
  Mg  Mg5  1  0.21480300  0.78519700  0.00000000  1.0
  Zr  Zr6  1  0.81133400  0.18866600  0.50000000  1.0
  B  B7  1  0.35971500  0.64028500  0.50000000  1.0